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| 苄胺与碳酸二甲酯甲基化反应体系热力学分析 | |
| 引用本文： | 朱茂电,胡静,刘绍英,王公应.苄胺与碳酸二甲酯甲基化反应体系热力学分析[J].化学工程,2011,39(12):48-51,68. |
| 作者姓名： | 朱茂电 胡静 刘绍英 王公应 |
| 作者单位： | 1. 中国科学院成都有机化学研究所,四川成都610041;中国科学院研究生院,北京100049;常州轻工职业技术学院,江苏常州213164 2. 中国科学院成都有机化学研究所,四川成都,610041 3. 中国科学院成都有机化学研究所,四川成都610041;常州化学研究所常州市绿色化学和技术重点实验室,江苏常州213164 |
| 摘 要： | 采用Benson和Joback基团贡献法对苄胺与碳酸二甲酯反应体系进行了热力学分析,计算了反应体系的焓变、熵变、吉布斯自由能变及反应平衡常数,讨论了反应温度对苄胺与碳酸二甲酯甲基化反应和甲氧羰基化反应的影响.计算结果表明,在373.15-453.15 K之间,甲基化反应为吸热反应,且反应为自发过程,反应平衡常数K(O)... |
| 关 键 词： | 苄胺 碳酸二甲酯 甲基化 热力学 |
Thermodynamic analysis of methylation of benzylamine with dimethyl carbonate |
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| ZHU Mao-dian,HU Jing,LIU Shao-ying,WANG Gong-ying.Thermodynamic analysis of methylation of benzylamine with dimethyl carbonate[J].Chemical Engineering,2011,39(12):48-51,68. | |
| Authors: | ZHU Mao-dian HU Jing LIU Shao-ying WANG Gong-ying |
| Abstract: | The enthalpy changes,entropy changes,Gibbs free energy changes and equilibrium constants in the reaction of dimethyl carbonate with benzylamine were calculated by the methods of Benson and Joback group contributions.The effects of reaction temperature on methylation reaction and methoxy carbonylation reaction of dimethyl carbonate with benzylamine were discussed.The calculated results show that methylation reaction is an endothermic reaction,and it is spontaneous process in the range of 373.15-453.15 K.The reaction equilibrium constant Kp■ decreases with increasing temperature.Compared with the methoxy carbonylation reaction,the methylation reaction of dimethyl carbonate with benzylamine is thermodynamically dominant reaction.The reaction equilibrium constant of methylation reaction is larger than that of methoxy carbonylation reaction.The selectivity of the methylation reaction can be improved by elevating temperature. |
| Keywords: | benzylamine dimethyl carbonate methylation thermodynamics |
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